SCHEMBL642360

SCHEMBL642360

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccc(Cl)cc43)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
CHRM1 P11229 8/20 0.42
PLD2 O14939 3/20 0.42
PLD1 Q13393 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
P2RX7 Q99572 1/20 0.41
CYP3A4 P08684 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL641177 0.91 CHRM1 (0.45) DRD2CHRM1PLD1OPRM1CHRM2
SCHEMBL641501 0.89 F10 (0.46) DRD2CHRM1PLD1OPRM1CHRM3
SCHEMBL641212 0.89 CHRM1 (0.47) DRD2CHRM1OPRM1CHRM2CHRM4
SCHEMBL640560 0.89 DRD2 (0.52) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639917 0.86 DRD2 (0.43) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL640105 0.86 DRD2 (0.42) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639709 0.85 KDM4E (0.40) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL640231 0.84 CHRM1 (0.42) CHRM1OPRM1CHRM2CHRM4CHRM5
SCHEMBL639583 0.84 DRD2 (0.43) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639980 0.83 KDM4E (0.39) DRD2SLC6A4HTR1AADRA2AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DRD2 519/4885SLC6A4 644/4885HTR1A 268/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DRD2 519/4885SLC6A4 644/4885HTR1A 268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.